tert-butyl 4-[4-[(4-ethylphenyl)carbamoyl]-2-(4-fluorophenyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-ethylphenyl)carbamoyl]-2-(4-fluorophenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-ethylphenyl)carbamoyl]-2-(4-fluorophenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-ethylanilino)-oxomethyl]-2-(4-fluorophenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-ethylphenyl)carbamoyl]-2-(4-fluorophenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-ethylphenyl)carbamoyl]-2-(4-fluorophenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H33FN4O3 MolecularWeight: 492.585023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H33FN4O3/c1-5-19-6-10-22(11-7-19)31-26(34)24-18-30-33(23-12-8-21(29)9-13-23)25(24)20-14-16-32(17-15-20)27(35)36-28(2,3)4/h6-13,18,20H,5,14-17H2,1-4H3,(H,31,34)